3ES1

Crystal structure of protein with a cupin-like fold and unknown function (YP_001165807.1) from NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 at 1.91 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.92522,0.97932,0.97879
Spacegroup name	P 64 2 2
Unit cell lengths	78.330, 78.330, 107.320
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.665 - 1.910
R-factor	0.172
Rwork	0.170
R-free	0.20500
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.571
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.665	28.665	1.980
High resolution limit [Å]	1.910	4.100	1.910
Rmerge	0.147	0.011	0.011
Number of reflections	15326	2872	2830
<I/σ(I)>	13.43	44	2.1
Completeness [%]	98.0	98.2	97.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	277	0.2M NaThioCyanate, 20.0% PEG-3350, No Buffer pH 6.9, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K